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90-99-3

Basic Information
CAS No.: 90-99-3
Name: Benzene,1,1'-(chloromethylene)bis-
Molecular Structure:
Molecular Structure of 90-99-3 (Benzene,1,1'-(chloromethylene)bis-)
Formula: C13H11Cl
Molecular Weight: 202.68
Synonyms: a-Chlorodiphenylmethane;NSC 76584;Diphenylmethylchloride;Diphenylchloromethane;Benzhydrylchloride;1,1'-(Chloromethylene)bisbenzene;Methane,chlorodiphenyl- (6CI,8CI);
EINECS: 202-031-7
Density: 1.119 g/cm3
Melting Point: 15-17 ºC(lit.)
Boiling Point: 315.5 ºC at 760 mmHg
Flash Point: 127 ºC
Solubility: slightly soluble in water
Appearance: Clear colorless to yellow liquid
Hazard Symbols: IrritantXi,CorrosiveC
Risk Codes: 36/37/38-34
Safety: 26-24/25-45-36/37/39-27
Transport Information: UN 3265 8/PG 2
PSA: 0.00000
LogP: 4.01480
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    Product Name Chlorodiphenylmethane CAS Registry Number 90-99-3 Molecular Structure Molecular Formula C13H11Cl

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Specification

The Chlorodiphenylmethane, with the CAS registry number 90-99-3, is also known as 1,1'-(Chloromethanediyl)dibenzene. It belongs to the product category of Pharmaceutical Intermediates. Its EINECS registry number is 202-031-7. This chemical's molecular formula is C13H11Cl and molecular weight is 202.68. What's more, its IUPAC name is called [Chloro(phenyl)methyl]benzene.

Physical properties about Chlorodiphenylmethane are: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 3.96; (5)ACD/BCF (pH 5.5): 599.69; (6)ACD/BCF (pH 7.4): 599.69; (7)ACD/KOC (pH 5.5): 3388.77; (8)ACD/KOC (pH 7.4): 3388.77; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 60.41 cm3; (15)Molar Volume: 180.9 cm3; (16)Surface Tension: 40.1 dyne/cm; (17)Density: 1.119 g/cm3; (18)Flash Point: 127 °C; (19)Enthalpy of Vaporization: 53.46 kJ/mol; (20)Boiling Point: 315.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000806 mmHg at 25 °C.

Preparation of Chlorodiphenylmethane: this chemical can be prepared by Diphenylmethanol. This reaction needs reagent SOCl2 and solvent toluene. The reaction time is 20 hours. The yield is 93 %.

Chlorodiphenylmethane can be prepared by Diphenylmethanol

Uses of Chlorodiphenylmethane: it is used to produce other chemicals. For example, it can react with Carbon dioxide to get Diphenylacetic acid. The reaction occurs with reagent tetra-n-butylammonium perchlorate and solvent acetonitrile at temperature of 25 °C. The yield is 92.6 %.

Chlorodiphenylmethane can react with Carbon dioxide to get Diphenylacetic acid

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes and may destroy living tissue on contacting. What's more, it may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And you must take off immediately all contaminated clothing. In case of contacting with eyes or skin, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(c1ccccc1)c2ccccc2
(2) InChI: InChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
(3) InChIKey: ZDVDCDLBOLSVGM-UHFFFAOYSA-N